N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H26ClN3O — CID 51262118

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C19H26ClN3O/c1-22-6-8-23(9-7-22)18-5-4-15(20)12-17(18)21-19(24)16-11-13-2-3-14(16)10-13/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,21,24)
InChIKeyWZVKPRMECHVUPH-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.47
Rot. Bonds3

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51262118) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51262118
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C19H26ClN3O/c1-22-6-8-23(9-7-22)18-5-4-15(20)12-17(18)21-19(24)16-11-13-2-3-14(16)10-13/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,21,24)
InChIKeyWZVKPRMECHVUPH-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 76932913
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090179
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 35357464
1-(4-chlorobenzoyl)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 112794351
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2670278
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30929926
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 4832721
(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51027350

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 51262118) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CN1CCN(c2ccc(Cl)cc2NC(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WZVKPRMECHVUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-22-6-8-23(9-7-22)18-5-4-15(20)12-17(18)21-19(24)16-11-13-2-3-14(16)10-13/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,21,24).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 347.89 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51262118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).